Institute of Experimental Mineralogy
Russian Academy of Sciences
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142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
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*** W W W - X R A Y P O L ***
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CALCIBORITE
1
CaB(2)O(4)
Orthorhombic P ccn Z = 8
R =0.12 NR =300
3 .6 .1988
Ref.Str.:
Shashkin D.P., Simonov M.A., Belov N.V. (1970)
* Dokl. Akad. Nauk SSSR, 195, 345-348
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.38 alpha = 90.0
b = 13.82 beta = 90.0
c = 5.006 gamma = 90.0
Unit cell volume (cub. angs.) = 579.75
Molar volume ( cub.cm/mol.) = 43.65
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.386 0.143 0.123 0.0 Ca = 1.00
2 0.537 0.139 0.624 0.0 B = 1.00
3 0.742 0.052 0.365 0.0 B = 1.00
4 0.391 0.185 0.633 0.0 O = 1.00
5 0.742 0.981 0.114 0.0 O = 1.00
6 0.596 0.112 0.365 0.0 O = 1.00
7 0.885 0.112 0.378 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.386 0.143 0.123
2 2 0.537 0.139 0.624
3 3 0.742 0.052 0.365
4 4 0.391 0.185 0.633
5 5 0.742 0.981 0.114
6 6 0.596 0.112 0.365
7 7 0.885 0.112 0.378
8 1 0.114 0.357 0.123
9 2 0.963 0.361 0.624
10 3 0.758 0.448 0.365
11 4 0.109 0.315 0.633
12 5 0.758 0.519 0.114
13 6 0.904 0.388 0.365
14 7 0.615 0.388 0.378
15 1 0.114 0.143 0.623
16 2 0.963 0.139 0.124
17 3 0.758 0.052 0.865
18 4 0.109 0.185 0.133
19 5 0.758 0.981 0.614
20 6 0.904 0.112 0.865
21 7 0.615 0.112 0.878
22 1 0.386 0.357 0.623
23 2 0.537 0.361 0.124
24 3 0.742 0.448 0.865
25 4 0.391 0.315 0.133
26 5 0.742 0.519 0.614
27 6 0.596 0.388 0.865
28 7 0.885 0.388 0.878
29 1 0.886 0.643 0.877
30 2 0.037 0.639 0.376
31 3 0.242 0.552 0.635
32 4 0.891 0.685 0.367
33 5 0.242 0.481 0.886
34 6 0.096 0.612 0.635
35 7 0.385 0.612 0.622
36 1 0.614 0.857 0.877
37 2 0.463 0.861 0.376
38 3 0.258 0.948 0.635
39 4 0.609 0.815 0.367
40 5 0.258 0.019 0.886
41 6 0.404 0.888 0.635
42 7 0.115 0.888 0.622
43 1 0.614 0.643 0.377
44 2 0.463 0.639 0.876
45 3 0.258 0.552 0.135
46 4 0.609 0.685 0.867
47 5 0.258 0.481 0.386
48 6 0.404 0.612 0.135
49 7 0.115 0.612 0.122
50 1 0.886 0.857 0.377
51 2 0.037 0.861 0.876
52 3 0.242 0.948 0.135
53 4 0.891 0.815 0.867
54 5 0.242 0.019 0.386
55 6 0.096 0.888 0.135
56 7 0.385 0.888 0.122
X-ray density (g/cm cub.) = 2.88
MU (1/cm) = 166.771 Mass attenuation coefficient (cm**2/g) = 57.922
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca 2.88 8
2.6185 4
2.521 4
2.179 6
2.3933 4
2.3174 7
2.3779 4
2.3441 5
2.4751 5
2 B 1.872 3
1.3795 4
1.4369 6
1.4776 7
3 B 1.872 4
1.5942 5
1.478 6
1.4587 7
1.592 5
4 O 3.264 7
2.4019 6
2.9686 4
2.4588 7
3.081 4
3.081 4
2.8477 5
2.8898 5
5 O 3.264 10
2.5206 6
2.5417 7
2.5066 5
2.5066 5
2.5835 6
2.4096 7
2.8477 4
2.8898 4
3.2347 6
3.2563 7
6 O 3.264 7
2.4019 4
2.5206 5
2.4227 7
2.5835 5
2.573 7
2.4431 7
3.2347 5
7 O 3.264 7
2.5417 5
2.4227 6
2.4588 4
2.4096 5
2.4431 6
2.573 6
3.2563 5
X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 1 1 0 6.171 12.342 0.07 170.11 4 53.5 578.6
2 0 2 0 6.4 12.8 0.072 157.98 2 26.0 63.5
3 2 0 0 10.593 21.187 0.119 56.27 2 1.8 0.1
4 1 1 1 10.819 21.637 0.122 53.86 8 21.8 61.1
5 1 3 0 11.0 22.0 0.124 52.03 4 40.7 102.4
6 1 2 1 12.185 24.37 0.137 42.02 8 31.7 100.2
7 2 2 0 12.415 24.83 0.14 40.4 4 85.2 349.4
8 0 4 0 12.882 25.764 0.145 37.38 2 191.9 819.4
9 1 3 1 14.189 28.378 0.159 30.46 8 20.0 29.0
10 2 1 1 14.249 28.497 0.16 30.19 8 39.3 111.2
11 2 2 1 15.33 30.661 0.172 25.81 8 66.8 273.8
12 3 1 0 16.34 32.68 0.183 22.49 4 53.1 75.4
13 1 4 1 16.622 33.244 0.186 21.67 8 6.4 2.1
14 2 4 0 16.796 33.592 0.188 21.19 4 103.6 270.4
15 2 3 1 16.995 33.99 0.19 20.65 8 52.4 135.1
16 1 5 0 17.065 34.129 0.19 20.47 4 60.3 88.5
17 0 0 2 17.923 35.846 0.2 18.39 2 1.8 0.0
18 0 1 2 18.225 36.45 0.203 17.73 4 78.8 131.0
19 3 1 1 18.703 37.406 0.208 16.75 8 41.5 68.5
20 1 0 2 18.734 37.468 0.208 16.68 4 130.1 336.0
21 3 3 0 18.814 37.627 0.209 16.53 4 44.4 38.7
22 1 1 2 19.025 38.05 0.212 16.13 8 1.7 0.1
23 0 2 2 19.106 38.211 0.212 15.98 4 5.5 0.6
24 2 4 1 19.11 38.22 0.213 15.97 8 7.7 2.3
25 1 5 1 19.35 38.701 0.215 15.53 8 27.1 27.2
26 0 6 0 19.537 39.075 0.217 15.21 2 99.1 88.8
27 3 2 1 19.565 39.13 0.217 15.16 8 33.6 40.7
28 1 2 2 19.875 39.75 0.221 14.64 8 50.9 90.2
29 0 3 2 20.502 41.003 0.227 13.66 4 58.1 54.9
30 3 3 1 20.936 41.871 0.232 13.04 8 38.0 44.9
31 2 0 2 21.006 42.013 0.233 12.94 4 5.1 0.4
32 1 3 2 21.229 42.458 0.235 12.64 8 7.2 1.6
33 2 1 2 21.271 42.542 0.235 12.58 8 30.5 27.9
34 2 5 1 21.568 43.137 0.239 12.19 8 46.2 62.0
35 4 0 0 21.572 43.145 0.239 12.19 2 142.0 146.2
36 2 2 2 22.049 44.099 0.244 11.6 8 3.3 0.3
37 1 6 1 22.298 44.596 0.246 11.31 8 51.2 70.7
38 0 4 2 22.335 44.669 0.247 11.27 4 5.1 0.3
39 2 6 0 22.434 44.868 0.248 11.16 4 7.8 0.8
40 4 2 0 22.594 45.188 0.249 10.98 4 86.1 96.9
41 3 4 1 22.74 45.48 0.251 10.82 8 10.2 2.7
42 1 4 2 23.015 46.03 0.254 10.53 8 133.8 449.0
43 3 5 0 23.082 46.165 0.254 10.46 4 69.3 59.9
44 2 3 2 23.3 46.601 0.257 10.24 8 23.8 13.8
45 1 7 0 23.631 47.261 0.26 9.92 4 83.7 82.8
46 4 1 1 23.732 47.463 0.261 9.83 8 12.5 3.6
47 2 6 1 24.297 48.595 0.267 9.32 8 71.2 112.3
48 3 0 2 24.407 48.814 0.268 9.22 4 192.2 405.3
49 4 2 1 24.448 48.896 0.269 9.18 8 29.0 18.4
50 0 5 2 24.53 49.061 0.269 9.12 4 143.5 223.5
51 3 1 2 24.643 49.285 0.271 9.02 8 0.5 0.0
52 3 5 1 24.908 49.817 0.273 8.8 8 26.7 15.0
53 2 4 2 24.97 49.94 0.274 8.75 8 2.9 0.2
54 1 5 2 25.165 50.33 0.276 8.6 8 3.7 0.3
55 3 2 2 25.34 50.68 0.278 8.47 8 7.4 1.1
56 1 7 1 25.427 50.854 0.279 8.4 8 49.5 48.9
57 4 4 0 25.467 50.934 0.279 8.37 4 172.5 296.5
58 4 3 1 25.609 51.218 0.281 8.26 8 4.2 0.3
59 3 3 2 26.472 52.945 0.289 7.66 8 1.2 0.0
60 0 8 0 26.48 52.961 0.289 7.66 2 99.6 45.2
61 2 5 2 27.004 54.008 0.295 7.32 8 10.7 2.0
62 0 6 2 27.031 54.062 0.295 7.31 4 4.7 0.2
63 4 4 1 27.174 54.348 0.296 7.22 8 4.3 0.3
64 2 7 1 27.253 54.506 0.297 7.17 8 78.3 104.6
65 3 6 1 27.384 54.768 0.299 7.1 8 37.8 24.2
66 5 1 0 27.578 55.157 0.301 6.98 4 46.0 17.5
67 1 6 2 27.624 55.249 0.301 6.96 8 4.4 0.3
68 3 4 2 28.003 56.007 0.305 6.74 8 95.5 146.4
69 1 1 3 28.292 56.584 0.308 6.59 8 11.5 2.1
70 3 7 0 28.54 57.08 0.31 6.46 4 73.9 42.0
71 4 0 2 28.651 57.301 0.311 6.4 4 5.0 0.2
72 1 8 1 28.723 57.445 0.312 6.37 8 27.6 11.5
73 2 8 0 28.836 57.672 0.313 6.31 4 19.5 2.8
74 4 1 2 28.862 57.724 0.313 6.3 8 64.0 61.3
75 1 2 3 28.927 57.854 0.314 6.27 8 26.4 10.4
76 4 5 1 29.1 58.201 0.316 6.18 8 2.1 0.1
77 5 1 1 29.2 58.4 0.317 6.13 8 28.8 12.1
78 5 3 0 29.279 58.558 0.317 6.1 4 14.1 1.4
79 2 6 2 29.357 58.713 0.318 6.06 8 3.6 0.2
80 4 2 2 29.489 58.978 0.32 6.0 8 1.4 0.0
81 0 7 2 29.796 59.593 0.323 5.86 4 53.5 20.0
82 4 6 0 29.803 59.605 0.323 5.86 4 31.2 6.8
83 5 2 1 29.823 59.646 0.323 5.85 8 48.5 32.7
84 3 5 2 29.895 59.79 0.324 5.82 8 5.8 0.5
85 1 3 3 29.967 59.933 0.324 5.79 8 12.6 2.2
86 2 1 3 29.999 59.999 0.325 5.77 8 39.5 21.4
87 3 7 1 30.128 60.256 0.326 5.72 8 51.7 36.4
88 1 7 2 30.354 60.709 0.328 5.62 8 1.3 0.0
89 2 8 1 30.415 60.829 0.329 5.6 8 55.8 41.5
90 4 3 2 30.517 61.033 0.33 5.56 8 2.3 0.1
91 2 2 3 30.612 61.224 0.331 5.52 8 51.6 35.0
92 1 9 0 30.663 61.325 0.331 5.5 4 60.0 23.5
93 5 3 1 30.844 61.688 0.333 5.43 8 42.3 23.1
94 4 6 1 31.351 62.703 0.338 5.24 8 37.4 17.4
95 1 4 3 31.387 62.773 0.338 5.22 8 5.8 0.4
96 2 3 3 31.618 63.236 0.34 5.14 8 52.8 34.1
97 4 4 2 31.922 63.845 0.343 5.03 8 3.1 0.1
98 2 7 2 31.994 63.988 0.344 5.01 8 48.8 28.4
99 3 6 2 32.113 64.225 0.345 4.97 8 63.9 48.2
100 1 9 1 32.187 64.375 0.346 4.94 8 2.5 0.1
101 5 4 1 32.241 64.483 0.346 4.93 8 4.8 0.3
102 5 5 0 32.513 65.025 0.349 4.84 4 50.7 14.8
103 3 1 3 32.724 65.447 0.351 4.77 8 25.5 7.4
104 0 8 2 32.805 65.61 0.352 4.74 4 6.1 0.2
105 2 4 3 32.997 65.995 0.354 4.69 8 2.3 0.1
106 3 8 1 33.119 66.239 0.355 4.65 8 32.1 11.4
107 1 5 3 33.161 66.322 0.355 4.64 8 16.6 3.0
108 3 2 3 33.308 66.616 0.356 4.59 8 28.2 8.7
109 1 8 2 33.334 66.669 0.357 4.59 8 14.2 2.2
110 6 0 0 33.471 66.942 0.358 4.55 2 122.8 40.8
111 5 0 2 33.581 67.161 0.359 4.51 4 79.3 33.8
112 4 5 2 33.682 67.363 0.36 4.49 8 38.3 15.7
113 5 1 2 33.774 67.547 0.361 4.46 8 1.4 0.0
114 2 9 1 33.778 67.555 0.361 4.46 8 3.8 0.2
115 0 10 0 33.874 67.748 0.362 4.43 2 36.9 3.6
116 4 7 1 33.9 67.8 0.362 4.43 8 25.6 6.9
117 5 5 1 33.992 67.984 0.363 4.4 8 33.1 11.5
118 6 2 0 34.24 68.481 0.365 4.33 4 23.5 2.9
119 3 3 3 34.271 68.542 0.366 4.33 8 27.0 7.5
120 5 2 2 34.349 68.698 0.366 4.31 8 0.3 0.0
121 3 7 2 34.632 69.264 0.369 4.23 8 8.6 0.8
122 2 5 3 34.729 69.457 0.37 4.21 8 35.9 12.9
123 2 8 2 34.898 69.797 0.371 4.17 8 3.6 0.1
124 3 9 0 34.92 69.839 0.372 4.16 4 16.9 1.4
125 6 1 1 35.119 70.239 0.373 4.12 8 35.0 12.0
126 1 6 3 35.267 70.534 0.375 4.08 8 33.5 10.9
127 5 3 2 35.298 70.597 0.375 4.07 8 2.7 0.1
128 4 8 0 35.305 70.61 0.375 4.07 4 52.3 13.2
129 3 4 3 35.598 71.196 0.378 4.01 8 12.9 1.6
130 6 2 1 35.685 71.37 0.379 3.99 8 20.8 4.1
131 4 6 2 35.773 71.546 0.379 3.97 8 3.2 0.1
132 1 10 1 35.837 71.673 0.38 3.95 8 25.5 6.1
133 2 10 0 35.937 71.875 0.381 3.93 4 3.6 0.1
134 0 9 2 36.051 72.102 0.382 3.91 4 44.7 9.3
135 5 6 1 36.075 72.15 0.382 3.9 8 58.3 31.5
136 3 9 1 36.352 72.705 0.385 3.85 8 5.6 0.3
137 4 1 3 36.354 72.708 0.385 3.85 8 15.1 2.1
138 6 4 0 36.503 73.007 0.386 3.82 4 33.8 5.2
139 1 9 2 36.558 73.117 0.387 3.8 8 6.1 0.3
140 5 4 2 36.609 73.218 0.387 3.79 8 33.5 10.1
141 6 3 1 36.619 73.238 0.387 3.79 8 22.1 4.4
142 4 8 1 36.731 73.463 0.388 3.77 8 8.8 0.7
143 2 6 3 36.793 73.587 0.389 3.76 8 59.9 32.1
144 4 2 3 36.912 73.823 0.39 3.74 8 24.0 5.1
145 5 7 0 37.076 74.151 0.391 3.71 4 4.8 0.1
146 3 5 3 37.275 74.549 0.393 3.67 8 19.7 3.4
147 2 10 1 37.354 74.708 0.394 3.66 8 40.5 14.3
148 3 8 2 37.439 74.879 0.395 3.64 8 74.5 48.1
149 1 7 3 37.688 75.376 0.397 3.6 8 36.6 11.5
150 4 3 3 37.834 75.668 0.398 3.57 8 8.9 0.7
151 6 4 1 37.912 75.824 0.399 3.56 8 14.3 1.7
152 0 0 4 37.987 75.974 0.4 3.55 2 202.7 86.7
153 2 9 2 38.065 76.129 0.4 3.53 8 41.9 14.8
154 0 1 4 38.171 76.341 0.401 3.52 4 2.0 0.0
155 4 7 2 38.181 76.363 0.401 3.51 8 91.4 69.9
156 5 5 2 38.269 76.538 0.402 3.5 8 3.8 0.1
157 1 11 0 38.313 76.626 0.402 3.49 4 19.7 1.6
158 5 7 1 38.477 76.953 0.404 3.47 8 55.3 25.2
159 1 0 4 38.485 76.97 0.404 3.47 4 12.6 0.7
160 1 1 4 38.668 77.335 0.406 3.44 8 31.9 8.4
161 0 2 4 38.719 77.438 0.406 3.43 4 4.2 0.1
162 4 4 3 39.113 78.226 0.409 3.37 8 1.9 0.0
163 6 0 2 39.166 78.331 0.41 3.37 4 1.4 0.0
164 2 7 3 39.179 78.358 0.41 3.36 8 65.8 34.6
165 1 2 4 39.214 78.428 0.41 3.36 8 7.8 0.5
166 3 6 3 39.288 78.576 0.411 3.35 8 30.1 7.2
167 6 1 2 39.347 78.694 0.412 3.34 8 9.5 0.7
168 0 10 2 39.545 79.09 0.413 3.31 4 2.0 0.0
169 6 5 1 39.553 79.106 0.413 3.31 8 23.6 4.4
170 0 3 4 39.628 79.255 0.414 3.3 4 7.5 0.2
171 1 11 1 39.7 79.4 0.415 3.29 8 40.2 12.7
172 3 10 1 39.837 79.674 0.416 3.28 8 18.1 2.5
173 4 9 1 39.844 79.688 0.416 3.27 8 8.2 0.5
174 6 2 2 39.891 79.781 0.416 3.27 8 2.1 0.0
175 2 0 4 39.968 79.935 0.417 3.26 4 3.0 0.0
176 1 10 2 40.037 80.074 0.418 3.25 8 36.1 10.1
177 1 3 4 40.119 80.239 0.418 3.24 8 11.3 1.0
178 2 1 4 40.148 80.296 0.419 3.24 8 0.7 0.0
179 6 6 0 40.164 80.329 0.419 3.23 4 26.9 2.8
180 7 1 0 40.229 80.458 0.419 3.23 4 60.8 14.2
181 5 6 2 40.267 80.534 0.42 3.22 8 49.9 19.1
182 1 8 3 40.417 80.835 0.421 3.2 8 27.2 5.6
183 3 9 2 40.535 81.069 0.422 3.19 8 0.3 0.0
184 2 2 4 40.689 81.378 0.423 3.17 8 37.2 10.5
185 4 5 3 40.741 81.482 0.424 3.17 8 3.6 0.1
186 6 3 2 40.793 81.585 0.424 3.16 8 34.6 9.0
187 5 1 3 40.827 81.654 0.424 3.16 8 20.4 3.1
188 0 4 4 40.891 81.782 0.425 3.15 4 102.8 39.6
189 4 8 2 40.901 81.803 0.425 3.15 8 1.0 0.0
190 2 11 1 41.171 82.342 0.427 3.12 8 67.4 33.7
191 5 8 1 41.191 82.383 0.427 3.12 8 38.6 11.0
192 5 2 3 41.366 82.732 0.429 3.1 8 41.5 12.7
193 1 4 4 41.379 82.759 0.429 3.1 8 6.4 0.3
194 2 10 2 41.505 83.011 0.43 3.09 8 4.0 0.1
195 6 6 1 41.535 83.071 0.43 3.08 8 37.5 10.3
196 2 3 4 41.587 83.175 0.431 3.08 8 1.7 0.0
197 7 1 1 41.599 83.199 0.431 3.08 8 16.5 2.0
198 3 7 3 41.632 83.264 0.431 3.07 8 40.8 12.2
199 7 3 0 41.667 83.335 0.432 3.07 4 7.5 0.2
200 2 8 3 41.883 83.766 0.433 3.05 8 40.8 12.1
201 4 10 0 41.891 83.782 0.433 3.05 4 15.6 0.9
202 0 12 0 41.978 83.955 0.434 3.04 2 49.4 4.4
203 6 4 2 42.048 84.097 0.435 3.03 8 3.7 0.1
204 7 2 1 42.137 84.273 0.435 3.03 8 1.1 0.0
205 3 11 0 42.242 84.484 0.436 3.02 4 88.8 28.3
206 5 3 3 42.261 84.523 0.437 3.01 8 27.8 5.5
207 3 0 4 42.41 84.821 0.438 3.0 4 4.3 0.1
208 0 5 4 42.504 85.007 0.439 2.99 4 3.6 0.0
209 3 1 4 42.589 85.178 0.439 2.99 8 36.9 9.7
210 5 7 2 42.6 85.199 0.439 2.99 8 3.3 0.1
211 4 6 3 42.712 85.424 0.44 2.98 8 32.6 7.5
212 2 4 4 42.839 85.679 0.441 2.97 8 52.1 19.2
213 5 9 0 42.87 85.74 0.442 2.96 4 21.3 1.6
214 1 5 4 42.989 85.979 0.443 2.95 8 42.4 12.6
215 7 3 1 43.03 86.06 0.443 2.95 8 23.6 3.9
216 3 2 4 43.125 86.249 0.444 2.94 8 9.6 0.6
217 4 10 1 43.252 86.505 0.445 2.94 8 16.6 1.9
218 0 11 2 43.315 86.629 0.445 2.93 4 88.9 27.6
219 1 9 3 43.462 86.924 0.447 2.92 8 5.0 0.2
220 5 4 3 43.511 87.022 0.447 2.92 8 11.1 0.8
221 3 11 1 43.602 87.204 0.448 2.91 8 37.3 9.6
222 6 5 2 43.655 87.31 0.448 2.91 8 46.4 14.9
223 1 11 2 43.799 87.599 0.449 2.9 8 2.3 0.0
224 1 12 1 43.823 87.647 0.449 2.9 8 42.1 12.2
225 6 7 1 43.858 87.715 0.45 2.89 8 44.7 13.8
226 2 12 0 43.919 87.839 0.45 2.89 4 6.6 0.2
227 3 10 2 43.934 87.869 0.45 2.89 8 9.4 0.6
228 4 9 2 43.941 87.882 0.45 2.89 8 63.9 28.1
229 3 3 4 44.016 88.031 0.451 2.88 8 12.9 1.1
230 5 9 1 44.228 88.457 0.453 2.87 8 8.4 0.5
231 7 4 1 44.277 88.554 0.453 2.87 8 10.6 0.8
232 3 8 3 44.31 88.619 0.453 2.87 8 29.2 5.8
233 2 5 4 44.443 88.886 0.455 2.86 8 0.9 0.0
234 0 6 4 44.465 88.93 0.455 2.86 4 59.8 12.2
235 7 5 0 44.523 89.045 0.455 2.85 4 76.9 20.1
236 2 9 3 44.915 89.83 0.458 2.83 8 1.7 0.0
237 1 6 4 44.949 89.898 0.459 2.83 8 2.8 0.1
X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (angs.):
No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si)
( degree ) (angstrem) *100 *100
1 1 1 0 6.171 12.342 7.16558 578.6 70.6 71.2 5.6
2 0 2 0 6.4 12.8 6.91 63.5 7.7 7.8 5.6
3 1 1 1 10.819 21.637 4.10374 61.1 7.5 7.5 5.6
4 1 3 0 11.0 22.0 4.03691 102.4 12.5 12.5 5.6
5 1 2 1 12.185 24.37 3.64936 100.2 12.2 12.2 5.6
6 2 2 0 12.415 24.83 3.58279 349.4 42.6 42.7 5.6
7 0 4 0 12.882 25.764 3.455 819.4 100.0 100.0 5.6
8 1 3 1 14.189 28.378 3.14244 29.0 3.5 3.5 5.6
9 2 1 1 14.249 28.497 3.12958 111.2 13.6 13.5 5.6
10 2 2 1 15.33 30.661 2.91349 273.8 33.4 33.3 5.6
11 3 1 0 16.34 32.68 2.73797 75.4 9.2 9.1 5.6
12 2 4 0 16.796 33.592 2.66564 270.4 33.0 32.8 5.7
13 2 3 1 16.995 33.99 2.63535 135.1 16.5 16.4 5.7
14 1 5 0 17.065 34.129 2.6249 88.5 10.8 10.7 5.7
15 0 1 2 18.225 36.45 2.46293 131.0 16.0 15.8 5.7
16 3 1 1 18.703 37.406 2.40215 68.5 8.4 8.3 5.7
17 1 0 2 18.734 37.468 2.3983 336.0 41.0 40.6 5.7
18 3 3 0 18.814 37.627 2.38853 38.7 4.7 4.7 5.7
19 1 5 1 19.35 38.701 2.3247 27.2 3.3 3.3 5.7
20 0 6 0 19.537 39.075 2.30333 129.5 15.8 15.6 5.7
21 1 2 2 19.875 39.75 2.26572 90.2 11.0 10.9 5.7
22 0 3 2 20.502 41.003 2.19932 54.9 6.7 6.6 5.7
23 3 3 1 20.936 41.871 2.15572 44.9 5.5 5.4 5.7
24 2 1 2 21.271 42.542 2.12328 27.9 3.4 3.4 5.7
25 4 0 0 21.572 43.145 2.095 208.2 25.4 25.0 5.7
26 1 6 1 22.298 44.596 2.03013 70.7 8.6 8.5 5.7
27 4 2 0 22.594 45.188 2.00488 96.9 11.8 11.6 5.7
28 1 4 2 23.015 46.03 1.97016 449.0 54.8 53.8 5.7
29 3 5 0 23.082 46.165 1.96473 59.9 7.3 7.2 5.7
30 2 3 2 23.3 46.601 1.94736 13.8 1.7 1.6 5.7
31 1 7 0 23.631 47.261 1.92167 82.8 10.1 9.9 5.7
32 2 6 1 24.297 48.595 1.87201 112.3 13.7 13.4 5.7
33 3 0 2 24.407 48.814 1.86411 405.3 49.5 48.4 5.7
34 4 2 1 24.448 48.896 1.86117 18.4 2.2 2.2 5.7
35 0 5 2 24.53 49.061 1.85532 223.5 27.3 26.7 5.7
36 3 5 1 24.908 49.817 1.82891 15.0 1.8 1.8 5.7
37 1 7 1 25.427 50.854 1.79403 48.9 6.0 5.8 5.8
38 4 4 0 25.467 50.934 1.7914 296.5 36.2 35.3 5.8
39 0 8 0 26.48 52.961 1.7275 45.2 5.5 5.4 5.8
40 2 7 1 27.253 54.506 1.68211 104.6 12.8 12.4 5.8
41 3 6 1 27.384 54.768 1.6747 24.2 2.9 2.9 5.8
42 5 1 0 27.578 55.157 1.66381 17.5 2.1 2.1 5.8
43 3 4 2 28.003 56.007 1.64056 146.4 17.9 17.3 5.8
44 3 7 0 28.54 57.08 1.61224 42.0 5.1 5.0 5.8
45 1 8 1 28.723 57.445 1.60285 11.5 1.4 1.4 5.8
46 4 1 2 28.862 57.724 1.59578 64.2 7.8 7.6 5.8
47 1 2 3 28.927 57.854 1.59248 10.4 1.3 1.2 5.8
48 5 1 1 29.2 58.4 1.57889 12.1 1.5 1.4 5.8
49 5 2 1 29.823 59.646 1.54885 59.5 7.3 7.0 5.8
50 2 1 3 29.999 59.999 1.54059 21.4 2.6 2.5 5.8
51 3 7 1 30.128 60.256 1.53462 36.4 4.4 4.3 5.8
52 2 8 1 30.415 60.829 1.52153 41.5 5.1 4.9 5.8
53 2 2 3 30.612 61.224 1.51265 35.0 4.3 4.1 5.8
54 1 9 0 30.663 61.325 1.51041 23.5 2.9 2.8 5.8
55 5 3 1 30.844 61.688 1.5024 23.1 2.8 2.7 5.8
56 4 6 1 31.351 62.703 1.48049 17.4 2.1 2.0 5.8
57 2 3 3 31.618 63.236 1.46929 34.1 4.2 4.0 5.9
58 2 7 2 31.994 63.988 1.45381 28.4 3.5 3.3 5.9
59 3 6 2 32.113 64.225 1.44902 48.2 5.9 5.6 5.9
60 5 5 0 32.513 65.025 1.43312 14.8 1.8 1.7 5.9
61 3 8 1 33.119 66.239 1.40977 11.4 1.4 1.3 5.9
62 3 2 3 33.308 66.616 1.4027 10.9 1.3 1.3 5.9
63 6 0 0 33.471 66.942 1.39667 40.8 5.0 4.7 5.9
64 5 0 2 33.581 67.161 1.39263 33.8 4.1 3.9 5.9
65 4 5 2 33.682 67.363 1.38895 15.7 1.9 1.8 5.9
66 4 7 1 33.9 67.8 1.38105 10.5 1.3 1.2 5.9
67 5 5 1 33.992 67.984 1.37777 11.5 1.4 1.3 5.9
68 2 5 3 34.729 69.457 1.3521 12.9 1.6 1.5 5.9
69 6 1 1 35.119 70.239 1.33896 12.0 1.5 1.4 5.9
70 1 6 3 35.267 70.534 1.33408 10.9 1.3 1.3 5.9
71 4 8 0 35.305 70.61 1.33282 13.2 1.6 1.5 5.9
72 5 6 1 36.075 72.15 1.30812 40.8 5.0 4.7 5.9
73 5 4 2 36.609 73.218 1.29165 14.5 1.8 1.7 6.0
74 2 6 3 36.793 73.587 1.28609 32.1 3.9 3.7 6.0
75 2 10 1 37.354 74.708 1.26955 14.3 1.7 1.6 6.0
76 3 8 2 37.439 74.879 1.26707 48.1 5.9 5.5 6.0
77 1 7 3 37.688 75.376 1.25995 11.5 1.4 1.3 6.0
78 0 0 4 37.987 75.974 1.2515 86.7 10.6 9.9 6.0
79 2 9 2 38.065 76.129 1.24934 14.8 1.8 1.7 6.0
80 4 7 2 38.181 76.363 1.2461 69.9 8.5 8.0 6.0
81 5 7 1 38.477 76.953 1.23801 25.9 3.2 3.0 6.0
82 1 1 4 38.668 77.335 1.23284 8.4 1.0 1.0 6.0
83 2 7 3 39.179 78.358 1.21928 34.6 4.2 3.9 6.0
84 1 11 1 39.7 79.4 1.20589 12.7 1.5 1.4 6.0
85 1 10 2 40.037 80.074 1.19742 10.1 1.2 1.1 6.0
86 7 1 0 40.229 80.458 1.19268 14.2 1.7 1.6 6.0
87 5 6 2 40.267 80.534 1.19174 19.1 2.3 2.2 6.1
88 2 2 4 40.689 81.378 1.18149 10.5 1.3 1.2 6.1
89 6 3 2 40.793 81.585 1.17902 9.0 1.1 1.0 6.1
90 0 4 4 40.891 81.782 1.17668 39.6 4.8 4.5 6.1
91 2 11 1 41.171 82.342 1.17009 44.8 5.5 5.0 6.1
92 5 2 3 41.366 82.732 1.16557 13.0 1.6 1.5 6.1
93 6 6 1 41.535 83.071 1.16166 10.3 1.3 1.2 6.1
94 3 7 3 41.632 83.264 1.15946 12.2 1.5 1.4 6.1
95 2 8 3 41.883 83.766 1.15379 13.0 1.6 1.5 6.1
96 3 11 0 42.242 84.484 1.1458 33.9 4.1 3.8 6.1
97 3 1 4 42.589 85.178 1.13823 9.8 1.2 1.1 6.1
98 2 4 4 42.839 85.679 1.13286 19.2 2.3 2.1 6.1
99 1 5 4 42.989 85.979 1.12967 12.6 1.5 1.4 6.1
100 0 11 2 43.315 86.629 1.12285 27.6 3.4 3.1 6.1
101 3 11 1 43.602 87.204 1.11692 9.6 1.2 1.1 6.2
102 6 5 2 43.655 87.31 1.11584 14.9 1.8 1.7 6.2
103 1 12 1 43.823 87.647 1.11242 12.2 1.5 1.4 6.2
104 6 7 1 43.858 87.715 1.11173 13.8 1.7 1.5 6.2
105 4 9 2 43.941 87.882 1.11004 28.1 3.4 3.1 6.2
106 0 6 4 44.465 88.93 1.09966 12.2 1.5 1.3 6.2
107 7 5 0 44.523 89.045 1.09853 20.1 2.5 2.2 6.2
Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
- Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian)
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